SCHEMBL8119000

SCHEMBL8119000

NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])N(Cc1ccc(O)cc1)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 4/20 0.39
▸ PSEN2 P49810 4/20 0.39
▸ APH1B Q8WW43 4/20 0.39
▸ NCSTN Q92542 4/20 0.39
▸ APH1A Q96BI3 4/20 0.39
▸ PSENEN Q9NZ42 4/20 0.39
▸ BMP1 P13497 6/20 0.36
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8112073 0.92 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8121505 0.85 NPC1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8126031 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8118999 0.78 NPY1R (0.42) BMP1MMP1MMP2MMP9
SCHEMBL8121919 0.78 NPY1R (0.35) —
SCHEMBL8123073 0.77 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8127301 0.77 MEN1 (0.33) —
SCHEMBL8121207 0.76 NPY1R (0.35) —
SCHEMBL8120806 0.74 ADAM17 (0.36) —
SCHEMBL8126778 0.74 HSD11B1 (0.34) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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